N~2~-Phenyl-6-[(prop-2-en-1-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
Basic information
- CAS
19079-37-9- Standard SMILES
C=CCSc1nc(N)nc(Nc2ccccc2)n1- InChIKey
FMZPTBKXUFBYMV-UHFFFAOYSA-N- Molecular formula
- C12H13N5S
- Average molar mass
- 259.33 g/mol
- Monoisotopic mass
- 259.08916661
Names & identifiers
- Preferred name
- N~2~-Phenyl-6-[(prop-2-en-1-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
- IUPAC
- 2-N-phenyl-6-prop-2-enylsulfanyl-1,3,5-triazine-2,4-diamine
Names & synonyms
19079-37-9NSC305344DTXSID10316629N~2~-Phenyl-6-[(prop-2-en-1-yl)sulfanyl]-1,3,5-triazine-2,4-diamineNSC-305344
Database identifiers
- CAS
19079-37-9- PubChem CID
- 328023
- DTXSID
DTXSID10316629
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 257
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Compound notes
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